5-Bromo-2-nitrobenzaldehyde

C₇H₄BrNO₃CAS 20357-20-4230.02 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Nitro

Properties

Molecular formula: C₇H₄BrNO₃
Molar mass: 230.02 g/mol
Exact mass: 228.9375 Da
Melting point: 68–69 °C
logP: 2.17Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

20357-20-4

SMILES

O=Cc1cc(Br)ccc1[N+](=O)[O-]

InChIKey

UFRVBZVJVRHSNR-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H

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Names and synonyms

3 names

Benzaldehyde, 5-bromo-2-nitro-
2-Nitro-5-bromobenzaldehyde
NSC 107452

Work with 5-Bromo-2-nitrobenzaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Hydroxy-2-nitrobenzaldehyde42454-06-867 % similar 4-Bromo-1,2-dinitrobenzene610-38-864 % similar 5-Fluoro-2-nitrobenzaldehyde395-81-362 % similar 5-Chloro-2-nitrobenzaldehyde6628-86-062 % similar 2-Nitrobenzaldehyde552-89-657 % similar 4-Bromo-2-fluoro-1-nitrobenzene321-23-357 % similar 2,5-Dibromonitrobenzene3460-18-256 % similar 4-Bromo-1-iodo-2-nitrobenzene112671-42-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Nitrobenzoyl bromide13277-62-8 4-Bromo-3-nitrobenzaldehyde163596-75-6 2-Bromo-6-nitrobenzaldehyde20357-21-5

Elsewhere

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